AF-399/42016480
TL;DR: AF-399/42016480 (CAS 618864-06-5) is a chemical compound with molecular formula C26H20N2O5S and molecular weight 472.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
Also Known As: AF-399/42016480, 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one, 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C26H20N2O5S |
|---|---|
| Molecular Weight | 472.11 g/mol |
| LogP | 5.49164 |
| Topological Polar Surface Area | 100.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.10928 |
| Heavy Atoms | 34 |
| Complexity | 1476.7317 |
Chemical Identifiers
| CAS Number | 618864-06-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)C)C)O)C(=O)C4=CC5=CC=CC=C5O4 |
Product Overview
AF-399/42016480 (CAS 618864-06-5), with molecular formula C26H20N2O5S and molecular weight 472.11 g/mol. IUPAC: 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AF-399/42016480
Property Insights of AF-399/42016480
The XLogP value of 5.49164 indicates that AF-399/42016480 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42016480. Following Lipinski's Rule of Five, AF-399/42016480 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/42016480?
The CAS number of AF-399/42016480 is 618864-06-5.
What is the molecular formula of AF-399/42016480?
The molecular formula of AF-399/42016480 is C26H20N2O5S.
What is the molecular weight of AF-399/42016480?
The molecular weight of AF-399/42016480 is 472.11 g/mol.
Where can I buy AF-399/42016480?
You can request a quote for AF-399/42016480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42016480?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42016480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.